BDBM446330 (3aS,8aR)-2-(1H-benzotriazole-5-carbonyl)-octahydro-pyrrolo[3,4-d]azepine-6-carboxylic acid 3-fluoro-4-(2,2,2-trifluoro-ethoxy)-benzyl ester::US10669268, Example 1.46

SMILES O=C(OCc1ccc(OCC(F)(F)F)c(F)c1)N1CC[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@@H]2CC1

InChI Key InChIKey=JSJALDWMQZYRGJ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 446330   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 446330BDBM446330((3aS,8aR)-2-(1H-benzotriazole-5-carbonyl)-octahydr...)
Affinity DataIC50: 2nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details
US Patent